Chem
J-GLOBAL ID：201407099564243015   Nikkaji number：J3.236.371G

2α-Hydroxy-3α-(2-hydroxy-4-methyl-5-chlorophenyl)-13,16-diazapentacyclo[16.4.0.02,16.04,12.06,11]docosane-1(18),4(12),6(11),7,9,19,21-heptaene-5,17-dione

(2R,3S)-2-(5-クロロ-2-ヒドロキシ-4-メチルフェニル)-3-ヒドロキシ-11,14-ジアザペンタシクロ[13.7.0.03,11.04,9.016,21]ドコサ-1(15),4,6,8,16,18,20-ヘプタエン-10,22-ジオン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C27H21ClN2O4
Molecular formula furigana： C27-H21-CL-N2-O4
Molecular weight： 472.930
InChI： InChI=1S/C27H21ClN2O4/c1-14-12-21(31)18(13-20(14)28)23-22-24(15-6-2-3-7-16(15)25(22)32)29-10-11-30-26(33)17-8-4-5-9-19(17)27(23,30)34/h2-9,12-13,23,29,31,34H,10-11H2,1H3/t23-,27-/m1/s1
InChI key： RRPHXMJFKYFDQK-YIXXDRMTSA-N
SMILES： Cc1cc(O)c(cc1Cl)[C@@H]1C2=C(NCCN3C(=O)c4ccccc4[C@@]13O)c1ccccc1C2=O
Systematic name  (3)：
  • 2α-ヒドロキシ-3α-(2-ヒドロキシ-4-メチル-5-クロロフェニル)-13,16-ジアザペンタシクロ[16.4.0.02,16.04,12.06,11]ドコサン-1(18),4(12),6(11),7,9,19,21-ヘプタエン-5,17-ジオン
  • (2R,3S)-2-(5-クロロ-2-ヒドロキシ-4-メチルフェニル)-3-ヒドロキシ-11,14-ジアザペンタシクロ[13.7.0.03,11.04,9.016,21]ドコサ-1(15),4,6,8,16,18,20-ヘプタエン-10,22-ジオン
  • (2R,3S)-2-(5-chloro-2-hydroxy-4-methylphenyl)-3-hydroxy-11,14-diazapentacyclo[13.7.0.03,11.04,9.016,21]docosa-1(15),4,6,8,16,18,20-heptaene-10,22-dione
Other name (1)：
  • 2α-Hydroxy-3α-(2-hydroxy-4-methyl-5-chlorophenyl)-13,16-diazapentacyclo[16.4.0.02,16.04,12.06,11]docosane-1(18),4(12),6(11),7,9,19,21-heptaene-5,17-dione
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